@MOLECULE 3-cyclohexyl-l-alanine 29 29 0 0 0 SMALL USER_CHARGES @ATOM 1 OXT 1.8667 -1.8546 -0.0247 O.3 1 PHE11111111 -0.5584 2 O 2.5286 -0.3405 -1.5248 O.2 1 PHE11111111 -0.5048 3 N 2.9917 1.1795 0.9418 N.3 1 PHE11111111 -0.6370 4 CG -0.6645 0.3742 -0.1053 C.3 1 PHE11111111 -0.0901 5 CD2 -1.1959 -0.3770 1.1261 C.3 1 PHE11111111 -0.2796 6 CD1 -1.7700 1.2781 -0.6827 C.3 1 PHE11111111 -0.2780 7 CE2 -2.4255 -1.2140 0.7489 C.3 1 PHE11111111 -0.2591 8 CE1 -2.9968 0.4397 -1.0647 C.3 1 PHE11111111 -0.2598 9 CB 0.5618 1.2361 0.2441 C.3 1 PHE11111111 -0.3513 10 CZ -3.5265 -0.3273 0.1533 C.3 1 PHE11111111 -0.2652 11 CA 1.7727 0.3932 0.6915 C.3 1 PHE11111111 -0.0070 12 C 2.1185 -0.5826 -0.4227 C.2 1 PHE11111111 0.6362 13 HG -0.3771 -0.3737 -0.8848 H 1 PHE11111111 0.1421 14 HD21 -1.4558 0.3376 1.9272 H 1 PHE11111111 0.1358 15 HD22 -0.4119 -1.0394 1.5392 H 1 PHE11111111 0.1390 16 HD11 -1.3954 1.8218 -1.5687 H 1 PHE11111111 0.1342 17 HD12 -2.0558 2.0487 0.0562 H 1 PHE11111111 0.1368 18 HE21 -2.8068 -1.7475 1.6385 H 1 PHE11111111 0.1294 19 HE22 -2.1390 -1.9988 0.0234 H 1 PHE11111111 0.1381 20 HE11 -2.7335 -0.2683 -1.8727 H 1 PHE11111111 0.1381 21 HE12 -3.7866 1.0925 -1.4773 H 1 PHE11111111 0.1298 22 HB1 0.2992 1.9546 1.0428 H 1 PHE11111111 0.1508 23 HB2 0.8408 1.8489 -0.6367 H 1 PHE11111111 0.1580 24 HZ1 -4.3972 -0.9430 -0.1350 H 1 PHE11111111 0.1290 25 HZ2 -3.8925 0.3836 0.9167 H 1 PHE11111111 0.1343 26 HA 1.5299 -0.1713 1.6349 H 1 PHE11111111 0.1806 27 H1 2.8667 1.8423 1.6890 H 1 PHE11111111 0.2595 28 H2 3.3179 1.6588 0.1150 H 1 PHE11111111 0.2651 29 HXT 2.0900 -2.5370 -0.7033 H 1 PHE11111111 0.3536 @BOND 1 20 8 1 2 16 6 1 3 2 12 2 4 21 8 1 5 8 6 1 6 8 10 1 7 13 4 1 8 29 1 1 9 6 4 1 10 6 17 1 11 23 9 1 12 12 1 1 13 12 11 1 14 24 10 1 15 4 9 1 16 4 5 1 17 19 7 1 18 28 3 1 19 10 7 1 20 10 25 1 21 9 11 1 22 9 22 1 23 11 3 1 24 11 26 1 25 7 5 1 26 7 18 1 27 3 27 1 28 5 15 1 29 5 14 1